(2,5-dioxopyrrolidin-1-yl) ethanesulfonate

C6H9NO5S — CID 14204348

IUPAC(2,5-dioxopyrrolidin-1-yl) ethanesulfonate
SMILESCCS(=O)(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C6H9NO5S/c1-2-13(10,11)12-7-5(8)3-4-6(7)9/h2-4H2,1H3
InChIKeyDGNVKGKDGJOTKD-UHFFFAOYSA-N
MW207.21 g/mol
LogP-0.58
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) ethanesulfonate

(2,5-dioxopyrrolidin-1-yl) ethanesulfonate (PubChem CID 14204348) has the molecular formula C6H9NO5S and a molecular weight of 207.21 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) ethanesulfonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) ethanesulfonate
PubChem CID14204348
Molecular FormulaC6H9NO5S
Molecular Weight207.21 g/mol
Exact Mass207.02
IUPAC Name(2,5-dioxopyrrolidin-1-yl) ethanesulfonate
SMILESCCS(=O)(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C6H9NO5S/c1-2-13(10,11)12-7-5(8)3-4-6(7)9/h2-4H2,1H3
InChIKeyDGNVKGKDGJOTKD-UHFFFAOYSA-N
XLogP-0.58
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(Methylsulfonyl)oxy]pyrrolidine-2,5-dione
CID 12274051
(2,5-Dioxopyrrolidin-1-yl) propane-2-sulfonate
CID 21225879
Sulfosuccinimidyl acetate
CID 127857
n-hydroxysulfosuccinimide sodium salt
CID 3520574
1-Propan-2-ylsulfonylpyrrolidine-2,5-dione
CID 164622408
(3-Methyl-2,5-dioxopyrrolidin-1-yl) methanesulfonate
CID 21336727
(2,5-Dioxopyrrolidin-1-yl) hexane-1-sulfonate
CID 22481408
N-Hydroxysulfosuccinimide
CID 133909
Sodium 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate--water (1/1/1)
CID 23697313
3-Sulfopropionic acid succinimidyl ester
CID 9813681
Sulfosuccinimidyl propionate
CID 20650903
3-sulfo-N-hydroxysulfosuccinimide
CID 129847345

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) ethanesulfonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) ethanesulfonate (CID 14204348) is (2,5-dioxopyrrolidin-1-yl) ethanesulfonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) ethanesulfonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) ethanesulfonate is CCS(=O)(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) ethanesulfonate?
The InChIKey is DGNVKGKDGJOTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO5S/c1-2-13(10,11)12-7-5(8)3-4-6(7)9/h2-4H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) ethanesulfonate?
(2,5-dioxopyrrolidin-1-yl) ethanesulfonate has a molecular weight of 207.21 g/mol, XLogP of -0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) ethanesulfonate is sourced from PubChem (CID 14204348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).